Information card for entry 7154903

Structure parameters

• Chemical name: N-(2-formylphenyl)-2-naphthamide
• Formula: C18 H13 N O2
• Calculated formula: C18 H13 N O2
• SMILES: O=C(Nc1ccccc1C=O)c1ccc2ccccc2c1
• Title of publication: Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.
• Authors of publication: De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1934 - 1939
• a: 24.4271 ± 0.0014 Å
• b: 3.7892 ± 0.0003 Å
• c: 14.3031 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1323.88 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No